Science: Chemistry: Software: Development

A distributed client/server system for the computation, management, analysis and visualization of chemical information of any type. Tool collection for several Unix flavors; some of the tools are distributed freely in precompiled form.

Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.

A Java based development tool for building portable chemical information systems.

Java computational chemistry library which supports file conversion, SMARTS substructure search, QSAR descriptor calculation and process/filter methods for molecular data sets.

A library for molecular modelling applications.

Open-source C++ library for molecule file conversion and pattern matching.

Free Perl module for converting PDB files to VRML for 3D visualization.

Free C++ library for converting Protein Data Bank (PDB) files to Virtual Reality Modeling Language (VRML) worlds.

Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list.

This site offers software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry.